Geometry & MOs

Info

ID:	214898
PubChem CID:	85083816
Reduced:	F2N2O2H16C17 (2)
Stoich.:	A2B2C2D16E17 (2)
Weight, g/mol:	636.220677
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	4.59
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[12-(2-acetyloxypropyl)-2,3,10,11-tetrahydroxy-4,6,7,9-tetramethoxyperylen-1-yl]propan-2-yl acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=NO)CC(C2=CC=C(C=C2)F)N(C(CC(=NO)CC(C3=CC=C(C=C3)F)NO)C4=CC=C(C=C4)F)O)F

DOS

IR

Vibrations